Nombre del analito

3-Epiabiraterone-d4 Acetate

Fórmula molecular

C26H29D4NO2

Peso molecular

395.57

Masa exacta

395.28

SMILES

[H][C@@]12CC=C3C[C@@H](CC[C@@]3([C@]1(CC[C@]4([C@]2(CC=C4C5=C(C([2H])=C(N=C5[2H])[2H])[2H])[H])C)[H])C)OC(C)=O

InChI

InChI=1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21+,23+,24+,25+,26-/m1/s1/i4D,5D,14D,16D

IUPAC

(3R,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(pyridin-3-yl-d4)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate

Alternar número CAS

2122245-63-8 stereoisomer

Número CAS sin etiquetar

154229-18-2 (stereoisomer)

Tipo SIL

Deuterium

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat